TL;DR: 3-(Dimethylamino)phenyl hydrogen phenylcarbonimidate--hydrogen chloride (1/1) (CAS 63982-25-2) is a chemical compound with molecular formula C15H17ClN2O2 and molecular weight 292.09787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl-[3-(phenylcarbamoyloxy)phenyl]azanium chloride
Also Known As: Phenylcarbamic ester of 3-oxyphenyldimethylamine hydrochloride, Aniline, N,N-dimethyl-3-(N-phenylcarbamoyloxy)-, hydrochloride, CARBAMIC ACID, N-PHENYL-, 3-(DIMETHYLAMINO)PHENYL ESTER, HYDROCHLORIDE, dimethyl-[3-(phenylcarbamoyloxy)phenyl]azanium chloride, Phenol, 3-(dimethylamino)-, phenylcarbamate (ester), monohydrochloride
| Molecular Formula | C15H17ClN2O2 |
| Molecular Weight | 292.09787 g/mol |
| XLogP | -0.92 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.09787 Da |
| Heavy Atoms | 20 |
| Complexity | 288.0 |
| SMILES | C[NH+](C)C1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2.[Cl-] |
| InChIKey | CJBUBCWJOPKWQN-UHFFFAOYSA-N |
The XLogP value of -0.92 indicates that 3-(Dimethylamino)phenyl hydrogen phenylcarbonimidate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.8 Ų, 3-(Dimethylamino)phenyl hydrogen phenylcarbonimidate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)phenyl hydrogen phenylcarbonimidate--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(Dimethylamino)phenyl hydrogen phenylcarbonimidate--hydrogen chloride (1/1) is 63982-25-2.
The molecular formula of 3-(Dimethylamino)phenyl hydrogen phenylcarbonimidate--hydrogen chloride (1/1) is C15H17ClN2O2.
The molecular weight of 3-(Dimethylamino)phenyl hydrogen phenylcarbonimidate--hydrogen chloride (1/1) is 292.09787 g/mol.
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